2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one

C15H29N3O — CID 119899825

IUPAC2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(C)CC12CCCCC2
InChIInChI=1S/C15H29N3O/c1-3-7-13(16)14(19)18-11-10-17(2)12-15(18)8-5-4-6-9-15/h13H,3-12,16H2,1-2H3
InChIKeyTYHXLZORYNZJKJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.59
Rot. Bonds3

About 2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one

2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one (PubChem CID 119899825) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one
PubChem CID119899825
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(C)CC12CCCCC2
InChIInChI=1S/C15H29N3O/c1-3-7-13(16)14(19)18-11-10-17(2)12-15(18)8-5-4-6-9-15/h13H,3-12,16H2,1-2H3
InChIKeyTYHXLZORYNZJKJ-UHFFFAOYSA-N
XLogP1.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-9-methyl-6,9-diazaspiro[4.5]decane-6-carboxamide
CID 71801371
4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride
CID 119899862
4-(methylamino)-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride
CID 119899820
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one
CID 103831681
[4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone
CID 119899839
(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)pentan-1-one
CID 103814592
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride
CID 119899850
(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 95023526
2-amino-1-(3,3,4-trimethylpiperazin-1-yl)pentan-1-one
CID 63634228
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)hexan-1-one
CID 93315574
(2R)-2-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)pentan-1-one
CID 103796728

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one (CID 119899825) is 2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one is CCCC(N)C(=O)N1CCN(C)CC12CCCCC2.
What is the InChIKey of 2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one?
The InChIKey is TYHXLZORYNZJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-7-13(16)14(19)18-11-10-17(2)12-15(18)8-5-4-6-9-15/h13H,3-12,16H2,1-2H3.
What are the key properties of 2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one?
2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one is sourced from PubChem (CID 119899825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).